SCHEMBL7792299

SCHEMBL7792299

COc1cc(O[C@H](C)C(=O)O)c(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
STING1 Q86WV6 1/20 0.43
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
PTGDR Q13258 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7783289 1.00 KMT2A (0.57) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL7783284 1.00 KMT2A (0.57) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL2419073 0.87 TSHR (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL29385175 0.87 TSHR (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL29397851 0.87 TSHR (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL5053997 0.87 TSHR (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL55790 0.87 TSHR (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL25437012 0.86 TSHR (0.54) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL11690135 0.86 TSHR (0.54) KMT2ATSHRHTR2AHTR2CHTR2B
Fenoprop SCHEMBL29729480 0.83 TSHR (0.51) KMT2ATSHRHTR2AHTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850246-B1 PYRIMIDINE NUCLEOSIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2001-11-14 EP disclosed
EP-0850246-A2 PYRIMIDINE NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-01 EP disclosed
US-5705492-A ESTERIFICATION OF PYRIMIDINE NUCLEOSIDE HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
WO-1997003082-A2 PYRIMIDINE NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-30 WO disclosed